Cas no 27447-53-6 (Acetic acid,2-mercapto-, 2-butoxyethyl ester)
27447-53-6 structure
Product Name:Acetic acid,2-mercapto-, 2-butoxyethyl ester
CAS No:27447-53-6
MF:C8H16O3S
MW:192.275841712952
CID:270249
PubChem ID:117979
Update Time:2025-04-19
Acetic acid,2-mercapto-, 2-butoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-mercapto-, 2-butoxyethyl ester
- 2-Butoxyethyl mercaptoacetate
- 2-Butoxyethyl sulfanylacetate
- Acetic acid, 2-mercapto-, 2-butoxyethyl ester
- SCHEMBL4884941
- Acetic acid, mercapto-, 2-butoxyethyl ester
- 27447-53-6
- DTXSID3067310
-
- Inchi： 1S/C8H16O3S/c1-2-3-4-10-5-6-11-8(9)7-12/h12H,2-7H2,1H3
- InChI Key： QYODZCNAXNABHX-UHFFFAOYSA-N
- SMILES： SCC(=O)OCCOCCCC
Computed Properties
- Exact Mass: 192.08208
- Monoisotopic Mass: 192.08201554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 117
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 36.5?2
Experimental Properties
- PSA: 35.53
Acetic acid,2-mercapto-, 2-butoxyethyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
27447-53-6 (Acetic acid,2-mercapto-, 2-butoxyethyl ester) Related Products
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